5-phenylmethoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine

C18H21NO2 — CID 83039045

IUPAC5-phenylmethoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCC1Oc2ccc(OCc3ccccc3)cc2C1N
InChIInChI=1S/C18H21NO2/c1-2-6-17-18(19)15-11-14(9-10-16(15)21-17)20-12-13-7-4-3-5-8-13/h3-5,7-11,17-18H,2,6,12,19H2,1H3
InChIKeyWSZAWQJEAXTRNQ-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.83
Rot. Bonds5

About 5-phenylmethoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine

5-phenylmethoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 83039045) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 5-phenylmethoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name5-phenylmethoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID83039045
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name5-phenylmethoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCC1Oc2ccc(OCc3ccccc3)cc2C1N
InChIInChI=1S/C18H21NO2/c1-2-6-17-18(19)15-11-14(9-10-16(15)21-17)20-12-13-7-4-3-5-8-13/h3-5,7-11,17-18H,2,6,12,19H2,1H3
InChIKeyWSZAWQJEAXTRNQ-UHFFFAOYSA-N
XLogP3.83
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-benzyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83050207
5-phenyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049310
(3aS,4R,9bR)-8-phenylmethoxy-4-(4-phenylmethoxyphenyl)-2-propylidene-3,3a,4,9b-tetrahydro-1H-cyclopenta[c]chromene
CID 91206033
5-methoxy-2-phenyl-3-propyl-2,3-dihydro-1-benzofuran
CID 132967211
2-(6-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 11948118
(4S)-6-phenylmethoxy-3,4-dihydro-2H-chromen-4-ol
CID 79014406
ethyl (2R)-2-bromo-2-[(1R)-3-oxo-5-phenylmethoxy-1H-2-benzofuran-1-yl]acetate
CID 132527453
1-phenylmethoxy-4-propoxybenzene
CID 10728874
1-phenylmethoxy-3-propylbenzene
CID 58977798
(4aR,10bS)-9-phenylmethoxy-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine
CID 18603943
(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 139348002
1-ethyl-2-methoxy-4-phenylmethoxybenzene
CID 130330824

Frequently Asked Questions

What is the IUPAC name of 5-phenylmethoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 5-phenylmethoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine (CID 83039045) is 5-phenylmethoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 5-phenylmethoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 5-phenylmethoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine is CCCC1Oc2ccc(OCc3ccccc3)cc2C1N.
What is the InChIKey of 5-phenylmethoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is WSZAWQJEAXTRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-6-17-18(19)15-11-14(9-10-16(15)21-17)20-12-13-7-4-3-5-8-13/h3-5,7-11,17-18H,2,6,12,19H2,1H3.
What are the key properties of 5-phenylmethoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
5-phenylmethoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 283.37 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmethoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 83039045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).